PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

mg(ii)cl4(2-) (dupcog)   2613 Mg(II)Cl4(2-) (DUPCOG)

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    #  Species Formula
  2603 TetrachloroethyleneC2Cl4
  2604 1,1,2,2-TetrachloroethaneC2H2Cl4
  2605 1,2,2,2-TetrachloroethaneC2H2Cl4
  2606 1,2,3,4-TetrachlorobenzeneC6H2Cl4
  2607 1,2,3,5-TetrachlorobenzeneC6H2Cl4
  2608 1,2,4,5-TetrachlorobenzeneC6H2Cl4
  2609 Trichloroacetyl chlorideC2O2Cl4
  2610 2,3,5,6-Tetrachloro-1,4-benzoquinoneC6O2Cl4
  2611 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo)C6O2Cl4
  2612 Mg(II)Cl4(2-) (DUPCOG) (Geo)MgCl4
  2613 Mg(II)Cl4(2-) (DUPCOG) MgCl4
  2614 Magnesium dichloride, dimerMg2Cl4
  2615 Al(III)Cl4(-) (CALZUK) (Geo)AlCl4
  2616 Al(III)Cl4(-) (CALZUK)AlCl4
  2617 LiAlCl4LiAlCl4
  2618 Al(III)CCl3 (MALCLD) (Geo)C2H6Al2Cl4
  2619 Al(III)CCl3 (MALCLD)C2H6Al2Cl4
  2620 Al(III)Cl2N2 (MADALC10) (Geo)C4H12N2Al2Cl4
  2621 Al(III)Cl2N2 (MADALC10)C4H12N2Al2Cl4
  2622 Silicon tetrachloride (Geo)SiCl4
  2623 Silicon tetrachlorideSiCl4


ΔHf: -234.8 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=-2 PM7
Mg(II)Cl4(2-) (DUPCOG)
 H=-234.8 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.30939170 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.30937794 +1  109.4768636 +1    0.0000000 +0     1     2     0
 Cl     2.30934423 +1  109.4703835 +1  119.9864020 +1     1     2     3
 Cl     2.30936933 +1  109.4723788 +1  119.9930087 +1     1     2     4